SCHEMBL7714524

SCHEMBL7714524

Cc1nccnc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.72
LMNA P02545 3/20 0.72
BLM P54132 3/20 0.72
CYP2C9 P11712 3/20 0.72
CYP3A4 P08684 2/20 0.72
MAPT P10636 2/20 0.72
CYP2C19 P33261 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
HTR1A P08908 1/20 0.72
NFKB1 P19838 1/20 0.72
CNR1 P21554 1/20 0.72
ADRA1A P35348 1/20 0.72
PPARG P37231 8/20 0.60
ABCC8 Q09428 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KCNH2 Q12809 2/20 0.59
MEN1 O00255 2/20 0.59
ABCC3 O15438 2/20 0.59
ABCC4 O15439 2/20 0.59
ABCB11 O95342 2/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11782823 0.84 TSHR (0.69) TSHRLMNABLMCYP2C9CYP3A4
SCHEMBL11779029 0.84 TSHR (0.69) TSHRLMNABLMCYP2C9CYP3A4
Glipizide SCHEMBL17094 0.84 TSHR (1.00) TSHRLMNABLMCYP2C9CYP3A4
Glipizide SCHEMBL1536893 0.84 TSHR (1.00) TSHRLMNABLMCYP2C9CYP3A4
Glipizide SCHEMBL29366401 0.84 TSHR (1.00) TSHRLMNABLMCYP2C9CYP3A4
SCHEMBL28407181 0.83 PPARG (0.76) TSHRLMNABLMCYP2C9CYP3A4
SCHEMBL28407544 0.83 ATM (0.76) TSHRLMNABLMCYP2C9CYP3A4
Glipizide SCHEMBL28867262 0.83 TSHR (0.98) TSHRLMNABLMCYP2C9CYP3A4
Glipizide SCHEMBL27573879 0.83 TSHR (0.98) TSHRLMNABLMCYP2C9CYP3A4
SCHEMBL11784654 0.83 LMNA (0.67) TSHRLMNABLMCYP2C9CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6464988-B1 NONIONIC SURFACTANT USV LIMITED (IN) 2002-10-15 US disclosed